SCHEMBL387027

SCHEMBL387027

O=C(O)c1cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCCCCC3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
PIK3R1 P27986 3/20 0.47
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
HIF1A Q16665 1/20 0.39
ABCB1 P08183 1/20 0.38
NOTUM Q6P988 2/20 0.38
NPY5R Q15761 1/20 0.35
CNR2 P34972 1/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35
ALPL P05186 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 2/20 0.34
TP53 P04637 1/20 0.34
PIK3CD O00329 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5049665 0.83 PIK3CA (0.36) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL391776 0.78 PDE4A (0.44) PIK3CAPIK3R1HIF1AABCB1FABP4
Hydrochloric Acid SCHEMBL4518915 0.77 PDE4A (0.43) PIK3CAPIK3R1HIF1AABCB1FABP4
SCHEMBL390178 0.72 MPL (0.40) PIK3CAMTORPIK3CBPIK3CGPRKCI
Hydrochloric Acid SCHEMBL4518145 0.72 MPL (0.39) PIK3CAMTORPIK3CBPIK3CGPRKCI
Hydrochloric Acid SCHEMBL4508187 0.71 PIK3CA (0.41) PIK3CAPIK3R1MAPTMTORPIK3CB
SCHEMBL4518887 0.70 PIK3CA (0.39) PIK3CAPIK3R1HIF1AABCB1MAPT
SCHEMBL386949 0.70 NPC1 (0.42) PIK3CAPIK3R1MAPTMTORPIK3CB
Hydrochloric Acid SCHEMBL4524068 0.69 NPC1 (0.41) PIK3CAPIK3R1MAPTMTORPIK3CB
SCHEMBL388188 0.69 PRKCI (0.40) PIK3CAPIK3R1HIF1AABCB1MTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-7557112-B2 Aromatic-ring-fused pyrimidine derivative ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 PIK3CA 1482/4885PIK3R1 1626/4885SIRT2 2304/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 PIK3CA 1482/4885PIK3R1 1626/4885SIRT2 2304/4885
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative GPR119, NOD1, IRS1 PIK3CA 158/4885PIK3R1 413/4885SIRT2 521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.